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Isoflupredone

CAT: 0572-TRC-I816600-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I816600-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
338-95-4
Synonyms
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-, (11β)-; Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy- (8CI); 9-Fluoroprednisolone; 9α-Fluoro-Δ1-cortisol; Isoflupredone; NSC 12174; Δ-Fluorocortisone
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
Molecular Formula
C21 H27 F O5
Molecular Weight
378.43
InChI
InChI=1S/C21H27FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h5,7,9,14-16,23,25,27H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1
Additionnal Information
IUPAC name: (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Isoflupredone

9-Fluoroprednisolone is a 21-hydroxy steroid.

CAS Number338-95-4
PubChem CID127516
IUPAC Name(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC21H27FO5
Molecular Weight378.4
XLogP1.5
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity775
SMILES
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@@]43C)F)O
InChI
InChI=1S/C21H27FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h5,7,9,14-16,23,25,27H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1
InChIKey
WAIJIHDWAKJCBX-BULBTXNYSA-N
Chemical Structure
2D Structure
2D structure of Isoflupredone
CAS: 338-95-4
CID: 127516
Formula: C21H27FO5
MW: 378.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.4
XLogP31.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass378.18425212
Monoisotopic Mass378.18425212
Topological Polar Surface Area94.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity775
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-132269-01Isoflupredone
FI24677-01Isoflupredone acetate
HY-132269RIsoflupredone (Standard)
HY-132269SIsoflupredone-d5
sc-489260Isoflupredone-d3
HY-134116R-01Isoflupredone acetate (Standard)
015024Isoflupredone-d3 (Major)
AR-I01836-01Isoflupredone Disodium Phosphate

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